Cas no 129865-03-8 ((2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol)

(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol structure
129865-03-8 structure
Product Name:(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CAS No:129865-03-8
MF:C39H68O33
MW:1064.9374370575
CID:2181750
Update Time:2023-08-06

(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol Chemical and Physical Properties

Names and Identifiers

    • Heptasaccharide (x3glc4-borohydride reduced)
    • O-X3G4R
    • Xyloglucan Heptasaccharide (X3Glc4 - borohydride reduced)
    • (2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydro
    • (2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
    • Inchi： 1S/C39H68O33/c40-1-9(42)20(50)31(10(43)2-41)70-38-29(59)23(53)33(15(68-38)7-65-35-26(56)18(48)12(45)4-62-35)72-39-30(60)24(54)32(16(69-39)8-66-36-27(57)19(49)13(46)5-63-36)71-37-28(58)22(52)21(51)14(67-37)6-64-34-25(55)17(47)11(44)3-61-34/h9-60H,1-8H2/t9-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20+,21+,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38-,39-/m0/s1
    • InChI Key： YCMYUIJPLMULKH-RAKOPUAGSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O1)O)O)O)O)O)[C@@H]1[C@@H](CO[C@@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)O[C@H]([C@@H]([C@H]1O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O

Computed Properties

  • Hydrogen Bond Donor Count: 21
  • Hydrogen Bond Acceptor Count: 33
  • Heavy Atom Count: 72
  • Rotatable Bond Count: 20
  • Complexity: 1610
  • Topological Polar Surface Area: 536

(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol Related Literature

Related Categories

129865-03-8 ((2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhexane-1,2,3,5,6-pentol) Related Products

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